SCHEMBL2303753

SCHEMBL2303753

c1cncc(C2CNCCC23CCC(OCCN2CCCC2)CC3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.41
CHRNA4 P43681 10/20 0.41
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
LTA4H P09960 1/20 0.37
CHRNA7 P36544 5/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA2 Q15822 2/20 0.35
CYP2A6 P11509 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR3E A5X5Y0 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7337816 0.69 LTA4H (0.46) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7348148 0.68 CHRNB2 (0.43) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7340701 0.68 CHRNB2 (0.43) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7340708 0.68 CHRNB2 (0.43) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL2110717 0.66 CHRNB2 (0.50) CHRNB2CHRNA4LTA4HALDH1A1MEN1
SCHEMBL4292893 0.65 CHRNB2 (0.49) CHRNB2CHRNA4LTA4HHRH3MEN1
Hydrochloric Acid SCHEMBL2333516 0.65 CHRNB2 (0.49) CHRNB2CHRNA4LTA4HALDH1A1MEN1
SCHEMBL3441563 0.64 CHRNB2 (0.48) CHRNB2CHRNA4LTA4HSLC6A4
SCHEMBL3441821 0.64 CHRNB2 (0.48) CHRNB2CHRNA4LTA4HMEN1CYP2D6
SCHEMBL2146296 0.64 NPC1 (0.52) CHRM2CHRM1CHRM3LTA4HSLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350003-A1 SUBSTITUTED DISULFONAMIDES AS BRI-MODULATORS Grünenthal GmbH (DE) 2011-08-03 EP disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US disclosed
WO-2010051977-A1 SUBSTITUTED DISULFONAMIDES AS BRI-MODULATORS Grünenthal GmbH (DE) 2010-05-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 CHRNB2 700/4885CHRNA4 912/4885CHRM2 309/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.